N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide

C15H13FN2S — CID 681189

IUPACN-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide
SMILESFc1ccc(NC(=S)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13FN2S/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19)
InChIKeyBZAFAXXYPYMYSL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.59
Rot. Bonds1

About N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide

N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide (PubChem CID 681189) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide
PubChem CID681189
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide
SMILESFc1ccc(NC(=S)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H13FN2S/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19)
InChIKeyBZAFAXXYPYMYSL-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide (CID 681189) is N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide is Fc1ccc(NC(=S)N2CCc3ccccc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide?
The InChIKey is BZAFAXXYPYMYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c16-12-5-7-13(8-6-12)17-15(19)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide?
N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide has a molecular weight of 272.35 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,3-dihydroindole-1-carbothioamide is sourced from PubChem (CID 681189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).